5-(3-chlorocyclohepten-1-yl)-2-(trifluoromethyl)-1,3-thiazole

C11H11ClF3NS — CID 107383872

IUPAC5-(3-chlorocyclohepten-1-yl)-2-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1ncc(C2=CC(Cl)CCCC2)s1
InChIInChI=1S/C11H11ClF3NS/c12-8-4-2-1-3-7(5-8)9-6-16-10(17-9)11(13,14)15/h5-6,8H,1-4H2
InChIKeyLIZSKXTVLGKGBY-UHFFFAOYSA-N
MW281.73 g/mol
LogP4.73
Rot. Bonds1

About 5-(3-chlorocyclohepten-1-yl)-2-(trifluoromethyl)-1,3-thiazole

5-(3-chlorocyclohepten-1-yl)-2-(trifluoromethyl)-1,3-thiazole (PubChem CID 107383872) has the molecular formula C11H11ClF3NS and a molecular weight of 281.73 g/mol. Its IUPAC name is 5-(3-chlorocyclohepten-1-yl)-2-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-(3-chlorocyclohepten-1-yl)-2-(trifluoromethyl)-1,3-thiazole
PubChem CID107383872
Molecular FormulaC11H11ClF3NS
Molecular Weight281.73 g/mol
Exact Mass281.03
IUPAC Name5-(3-chlorocyclohepten-1-yl)-2-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1ncc(C2=CC(Cl)CCCC2)s1
InChIInChI=1S/C11H11ClF3NS/c12-8-4-2-1-3-7(5-8)9-6-16-10(17-9)11(13,14)15/h5-6,8H,1-4H2
InChIKeyLIZSKXTVLGKGBY-UHFFFAOYSA-N
XLogP4.73
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.73
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 5-(3-chlorocyclohepten-1-yl)-2-(trifluoromethyl)-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorocyclohepten-1-yl)-2-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 5-(3-chlorocyclohepten-1-yl)-2-(trifluoromethyl)-1,3-thiazole (CID 107383872) is 5-(3-chlorocyclohepten-1-yl)-2-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 5-(3-chlorocyclohepten-1-yl)-2-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 5-(3-chlorocyclohepten-1-yl)-2-(trifluoromethyl)-1,3-thiazole is FC(F)(F)c1ncc(C2=CC(Cl)CCCC2)s1.
What is the InChIKey of 5-(3-chlorocyclohepten-1-yl)-2-(trifluoromethyl)-1,3-thiazole?
The InChIKey is LIZSKXTVLGKGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF3NS/c12-8-4-2-1-3-7(5-8)9-6-16-10(17-9)11(13,14)15/h5-6,8H,1-4H2.
What are the key properties of 5-(3-chlorocyclohepten-1-yl)-2-(trifluoromethyl)-1,3-thiazole?
5-(3-chlorocyclohepten-1-yl)-2-(trifluoromethyl)-1,3-thiazole has a molecular weight of 281.73 g/mol, XLogP of 4.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorocyclohepten-1-yl)-2-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 107383872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).